#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wnj h ASP -2 N 0.00 0.68 -0.54 1.67 3.45 -2.05 -1.91 116.42 117.72 2wnj h ASP -2 Ca 0.00 -0.20 -0.05 0.00 0.43 0.00 0.00 57.03 57.21 2wnj h ASP -2 Cb 0.00 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 2wnj h ASP -2 CO 0.00 0.83 0.14 0.11 -1.57 0.00 0.00 179.24 178.75 2wnj h LYS -1 N 0.63 0.85 -0.61 3.56 1.57 -2.05 -1.31 116.57 119.20 2wnj h LYS -1 Ca 0.11 -0.20 0.06 0.00 -1.87 0.00 0.00 60.65 58.75 2wnj h LYS -1 Cb 0.57 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.71 2wnj h LYS -1 CO 0.04 0.80 0.32 1.25 -0.57 0.00 0.00 179.45 181.28 2wnj h LEU 0 N 0.75 0.45 -0.46 2.94 5.85 -1.94 -1.90 115.31 121.01 2wnj h LEU 0 Ca 0.17 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.84 2wnj h LEU 0 Cb 0.32 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 2wnj h LEU 0 CO -0.00 0.30 -0.03 0.45 -0.34 0.00 0.00 178.44 178.81 2wnj h HIS 1 N 0.59 0.91 -0.81 1.25 3.86 -1.10 -1.80 115.15 118.06 2wnj h HIS 1 Ca 0.28 -0.17 0.10 0.00 -1.16 0.00 0.00 60.37 59.41 2wnj h HIS 1 Cb 0.19 -0.23 -0.07 0.00 1.06 0.00 0.00 27.41 28.36 2wnj h HIS 1 CO -0.10 0.89 0.45 0.77 0.86 0.00 0.00 177.93 180.80 2wnj h SER 2 N 0.67 0.64 -0.29 2.45 0.02 -1.06 -0.01 113.55 115.97 2wnj h SER 2 Ca 0.12 0.05 -0.02 0.00 -0.84 0.00 0.00 61.79 61.11 2wnj h SER 2 Cb 0.55 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 2wnj h SER 2 CO 0.03 0.36 0.10 1.56 -1.14 0.00 0.00 176.83 177.74 2wnj h GLN 3 N 0.75 0.43 -0.83 3.45 4.20 -1.11 -2.04 115.11 119.96 2wnj h GLN 3 Ca 0.39 -0.09 0.01 0.00 0.06 0.00 0.00 58.65 59.03 2wnj h GLN 3 Cb 0.37 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.05 2wnj h GLN 3 CO -0.25 0.47 0.55 0.00 -0.67 0.00 0.00 178.83 178.93 2wnj h ALA 4 N 0.94 1.06 -0.63 3.87 0.00 -0.80 -0.35 119.26 123.34 2wnj h ALA 4 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2wnj h ALA 4 Cb 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2wnj h ALA 4 CO -0.01 0.46 0.26 -0.91 0.00 0.00 0.00 179.25 179.05 2wnj h ASN 5 N 1.12 0.86 -0.25 0.00 2.35 -0.84 0.23 115.58 119.05 2wnj h ASN 5 Ca 0.31 -0.16 -0.07 0.00 -0.55 0.00 0.00 56.30 55.82 2wnj h ASN 5 Cb -0.12 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.02 2wnj h ASN 5 CO -0.07 0.79 -0.13 0.25 -1.65 0.00 0.00 177.43 176.62 2wnj h LEU 6 N 0.88 0.56 -0.74 1.61 5.85 -1.01 0.10 115.31 122.56 2wnj h LEU 6 Ca 0.21 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.52 2wnj h LEU 6 Cb 0.19 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.03 2wnj h LEU 6 CO -0.02 0.85 0.49 0.24 -0.34 0.00 0.00 178.44 179.66 2wnj h MET 7 N 0.26 0.98 -0.33 1.25 2.86 -0.90 -0.85 114.93 118.20 2wnj h MET 7 Ca 0.06 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2wnj h MET 7 Cb 0.64 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 2wnj h MET 7 CO 0.04 0.66 0.17 -0.09 1.06 0.00 0.00 176.91 178.75 2wnj h ARG 8 N 1.01 0.46 0.04 1.72 2.43 -0.17 -1.10 114.38 118.76 2wnj h ARG 8 Ca 0.27 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 59.40 2wnj h ARG 8 Cb -0.11 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.33 2wnj h ARG 8 CO -0.06 0.40 -0.17 1.25 -1.51 0.00 0.00 179.97 179.88 2wnj h LEU 9 N 0.40 -0.47 -0.96 3.80 5.85 -0.51 -0.45 115.31 122.97 2wnj h LEU 9 Ca 0.11 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2wnj h LEU 9 Cb 0.08 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 2wnj h LEU 9 CO -0.02 -0.23 0.26 0.11 -0.34 0.00 0.00 178.44 178.22 2wnj h LYS 10 N -0.29 1.01 -0.41 1.25 1.57 -1.04 -0.99 116.57 117.67 2wnj h LYS 10 Ca 0.04 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 2wnj h LYS 10 Cb 0.34 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2wnj h LYS 10 CO -0.13 0.83 0.23 1.03 -0.57 0.00 0.00 179.45 180.84 2wnj h SER 11 N 0.99 0.51 -0.45 0.86 0.87 -1.00 0.10 113.55 115.44 2wnj h SER 11 Ca 0.23 -0.08 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2wnj h SER 11 Cb 0.20 -0.13 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 2wnj h SER 11 CO -0.02 0.44 0.25 0.44 -0.53 0.00 0.00 176.83 177.41 2wnj h ASP 12 N 0.53 0.55 -0.42 6.23 3.45 -0.50 0.56 116.42 126.82 2wnj h ASP 12 Ca 0.15 -0.09 -0.15 0.00 0.43 0.00 0.00 57.03 57.37 2wnj h ASP 12 Cb 0.04 -0.14 -0.01 0.00 -0.56 0.00 0.00 39.33 38.66 2wnj h ASP 12 CO -0.02 0.48 -0.32 -0.07 -1.57 0.00 0.00 179.24 177.74 2wnj h LEU 13 N 0.58 1.02 0.00 1.55 3.38 -1.04 -3.33 115.31 117.47 2wnj h LEU 13 Ca 0.16 -0.43 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 2wnj h LEU 13 Cb 0.05 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.48 2wnj h LEU 13 CO -0.03 1.24 -1.82 0.49 0.09 0.00 0.00 178.44 178.41 2wnj n PHE 14 N -4.08 0.00 -0.05 1.13 0.99 0.34 -4.29 117.46 111.50 2wnj n PHE 14 Ca -0.01 0.00 -0.02 0.00 -0.00 0.00 0.00 57.45 57.42 2wnj n PHE 14 Cb 0.51 -0.57 -0.13 0.00 -1.00 0.00 0.00 39.48 38.29 2wnj n PHE 14 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 2wnj n ASN 15 N -2.40 1.06 -0.94 4.37 5.03 0.13 -4.49 115.26 118.01 2wnj n ASN 15 Ca -0.18 0.00 0.08 0.00 0.87 0.00 0.00 54.58 55.34 2wnj n ASN 15 Cb 0.84 1.21 0.24 0.00 -1.02 0.00 0.00 39.78 41.05 2wnj n ASN 15 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2wnj n ARG 16 N -2.42 3.09 -3.68 3.52 1.74 -0.82 -4.93 116.66 113.16 2wnj n ARG 16 Ca -0.18 -2.55 -0.11 0.00 -0.77 0.00 0.00 57.85 54.24 2wnj n ARG 16 Cb 0.82 -1.64 -0.09 0.00 -1.02 0.00 0.00 32.46 30.53 2wnj n ARG 16 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2wnj s SER 17 N -1.36 -0.65 0.43 0.55 0.15 -1.25 -4.98 113.70 106.58 2wnj s SER 17 Ca 0.37 1.16 -0.25 0.00 0.70 0.00 0.00 55.95 57.93 2wnj s SER 17 Cb 0.25 1.11 -0.08 0.00 -1.71 0.00 0.00 66.02 65.59 2wnj s SER 17 CO 0.14 -0.20 1.21 -2.16 1.20 0.00 0.00 173.24 173.43 2wnj s PRO 18 N 0.86 3.89 0.49 5.44 0.04 -1.26 -4.56 135.00 139.91 2wnj s PRO 18 Ca -0.05 1.92 -0.23 0.00 0.04 0.00 0.00 61.00 62.69 2wnj s PRO 18 Cb -0.05 -2.59 -0.06 0.00 0.04 0.00 0.00 34.50 31.83 2wnj s PRO 18 CO -0.07 -0.48 1.31 1.41 0.04 0.00 0.00 177.00 179.21 2wnj s MET 19 N -2.43 3.49 0.33 4.56 1.75 -1.26 -4.89 119.30 120.84 2wnj s MET 19 Ca 0.60 2.14 -0.28 0.00 -1.25 0.00 0.00 55.69 56.89 2wnj s MET 19 Cb -0.33 -2.42 -0.12 0.00 2.84 0.00 0.00 34.83 34.80 2wnj s MET 19 CO 0.41 -0.88 1.33 0.98 -0.65 0.00 0.00 175.02 176.20 2wnj n TYR 20 N -0.61 2.33 1.46 4.11 9.36 -1.26 -4.88 117.16 127.67 2wnj n TYR 20 Ca 0.08 0.52 0.02 0.00 3.32 0.00 0.00 57.90 61.84 2wnj n TYR 20 Cb 0.45 -2.44 0.07 0.00 -0.63 0.00 0.00 39.34 36.79 2wnj n TYR 20 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2wnj n PRO 21 N 0.80 1.38 0.00 2.98 -0.04 -1.26 -4.86 135.00 134.01 2wnj n PRO 21 Ca 0.06 -0.57 0.00 0.00 -0.04 0.00 0.00 63.50 62.95 2wnj n PRO 21 Cb 0.36 -1.15 0.00 0.00 -0.04 0.00 0.00 33.50 32.67 2wnj n PRO 21 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wnj n GLY 22 N 0.72 -0.47 3.78 0.55 0.00 -1.26 -4.99 105.19 103.52 2wnj n GLY 22 Ca 0.05 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 2wnj n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wnj s PRO 23 N -2.10 2.06 0.28 1.61 0.04 -1.26 -5.04 135.00 130.59 2wnj s PRO 23 Ca 0.00 0.85 -0.03 0.00 0.04 0.00 0.00 61.00 61.86 2wnj s PRO 23 Cb 0.00 -1.90 -0.01 0.00 0.04 0.00 0.00 34.50 32.63 2wnj s PRO 23 CO 0.00 -1.69 0.37 0.95 0.04 0.00 0.00 177.00 176.66 2wnj s THR 24 N -3.02 0.00 0.42 1.26 -4.23 -0.87 -4.98 115.64 104.21 2wnj s THR 24 Ca 0.61 -1.70 0.09 0.00 -1.18 0.00 0.00 61.69 59.51 2wnj s THR 24 Cb -0.16 -2.48 0.29 0.00 1.34 0.00 0.00 72.50 71.48 2wnj s THR 24 CO 0.55 0.00 2.04 0.11 -0.54 0.00 0.00 174.62 176.78 2wnj h LYS 25 N 2.27 0.49 0.00 3.99 1.57 -1.92 -0.78 116.57 122.20 2wnj h LYS 25 Ca -0.29 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2wnj h LYS 25 Cb 1.24 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.44 2wnj h LYS 25 CO 0.41 0.32 -0.50 -0.25 -0.57 0.00 0.00 179.45 178.86 2wnj n ASP 26 N -4.48 0.70 -3.19 0.86 8.00 -1.26 -4.28 116.55 112.90 2wnj n ASP 26 Ca 0.05 0.19 -0.22 0.00 0.71 0.00 0.00 54.79 55.53 2wnj n ASP 26 Cb 0.16 -0.02 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 2wnj n ASP 26 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2wnj n ASP 27 N -2.11 0.59 -4.84 -2.24 2.03 -0.53 -5.12 116.55 104.33 2wnj n ASP 27 Ca 0.04 -2.85 -0.30 0.00 0.52 0.00 0.00 54.79 52.20 2wnj n ASP 27 Cb 0.43 -0.63 0.06 0.00 -0.72 0.00 0.00 41.12 40.26 2wnj n ASP 27 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2wnj s PRO 28 N -1.73 2.59 0.02 -0.67 0.04 -0.41 -2.05 135.00 132.78 2wnj s PRO 28 Ca 0.37 0.62 0.05 0.00 0.04 0.00 0.00 61.00 62.08 2wnj s PRO 28 Cb 0.24 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 2wnj s PRO 28 CO -0.10 -1.26 -0.15 -1.17 0.04 0.00 0.00 177.00 174.36 2wnj s LEU 29 N -5.55 2.11 -0.20 -3.56 2.96 -0.08 -4.91 118.68 109.44 2wnj s LEU 29 Ca 0.59 -0.38 -0.06 0.00 -0.22 0.00 0.00 54.13 54.06 2wnj s LEU 29 Cb -0.13 -0.70 -0.03 0.00 0.50 0.00 0.00 46.19 45.83 2wnj s LEU 29 CO 0.53 0.11 0.04 -0.89 -1.32 0.00 0.00 176.35 174.82 2wnj s THR 30 N -0.62 4.38 -0.19 3.68 2.01 -1.26 -0.72 115.64 122.92 2wnj s THR 30 Ca 0.04 -0.17 -0.06 0.00 0.31 0.00 0.00 61.69 61.81 2wnj s THR 30 Cb -0.07 -2.99 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2wnj s THR 30 CO 0.01 0.42 0.04 -0.69 -0.69 0.00 0.00 174.62 173.70 2wnj s VAL 31 N 0.84 4.46 -0.13 3.82 1.01 -0.07 -4.59 120.40 125.74 2wnj s VAL 31 Ca 0.02 -0.15 -0.16 0.00 0.00 0.00 0.00 61.98 61.69 2wnj s VAL 31 Cb -0.14 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2wnj s VAL 31 CO 0.02 0.45 0.40 -0.89 0.00 0.00 0.00 175.10 175.08 2wnj s THR 32 N 0.58 5.23 -0.03 3.92 2.01 0.58 -1.54 115.64 126.38 2wnj s THR 32 Ca 0.01 0.79 0.05 0.00 0.31 0.00 0.00 61.69 62.86 2wnj s THR 32 Cb -0.13 -3.74 -0.01 0.00 0.01 0.00 0.00 72.50 68.63 2wnj s THR 32 CO 0.02 0.36 -0.18 -0.22 -0.69 0.00 0.00 174.62 173.91 2wnj s LEU 33 N 0.48 1.97 0.04 4.42 2.96 0.07 -1.19 118.68 127.44 2wnj s LEU 33 Ca 0.22 -0.34 -0.12 0.00 -0.22 0.00 0.00 54.13 53.67 2wnj s LEU 33 Cb -0.14 -0.95 0.01 0.00 0.50 0.00 0.00 46.19 45.60 2wnj s LEU 33 CO 0.08 0.18 0.25 -0.83 -1.32 0.00 0.00 176.35 174.71 2wnj s GLY 34 N -0.16 -0.05 -0.01 7.98 0.00 -0.48 -4.34 107.32 110.27 2wnj s GLY 34 Ca 0.01 -0.14 0.08 0.00 0.00 0.00 0.00 44.72 44.67 2wnj s GLY 34 CO 0.01 -0.33 -0.26 -1.36 0.00 0.00 0.00 173.10 171.16 2wnj s PHE 35 N -2.59 2.32 -0.27 1.90 0.08 -1.26 0.78 117.98 118.93 2wnj s PHE 35 Ca -0.05 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.56 2wnj s PHE 35 Cb -0.01 -1.47 0.04 0.00 -0.57 0.00 0.00 43.02 41.01 2wnj s PHE 35 CO -0.04 -0.01 -0.05 0.99 -0.10 0.00 0.00 175.22 176.01 2wnj s THR 36 N -0.64 2.73 -0.23 0.64 2.01 -0.08 -1.69 115.64 118.38 2wnj s THR 36 Ca 0.10 -1.29 -0.20 0.00 0.31 0.00 0.00 61.69 60.61 2wnj s THR 36 Cb -0.10 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.89 2wnj s THR 36 CO -0.00 0.05 0.61 -0.22 -0.69 0.00 0.00 174.62 174.36 2wnj s LEU 37 N 1.25 4.10 -0.17 4.42 2.96 -0.83 -0.92 118.68 129.49 2wnj s LEU 37 Ca -0.04 0.73 0.07 0.00 -0.22 0.00 0.00 54.13 54.68 2wnj s LEU 37 Cb -0.18 -2.84 -0.22 0.00 0.50 0.00 0.00 46.19 43.44 2wnj s LEU 37 CO -0.04 -0.31 0.16 0.00 -1.32 0.00 0.00 176.35 174.84 2wnj n GLN 38 N 5.39 0.68 -3.64 1.98 6.02 0.08 -3.66 117.38 124.23 2wnj n GLN 38 Ca -0.02 0.15 -0.10 0.00 -0.01 0.00 0.00 57.00 57.03 2wnj n GLN 38 Cb 0.49 -1.61 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 2wnj n GLN 38 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 2wnj s ASP 39 N -6.22 -0.65 -0.50 1.08 2.15 -0.82 -0.25 116.67 111.45 2wnj s ASP 39 Ca -0.19 1.18 -0.20 0.00 0.43 0.00 0.00 52.55 53.78 2wnj s ASP 39 Cb 0.07 1.22 0.05 0.00 -0.30 0.00 0.00 42.92 43.96 2wnj s ASP 39 CO 0.75 -0.20 0.66 -0.63 -0.17 0.00 0.00 175.17 175.58 2wnj s ILE 40 N 0.61 4.81 -0.05 4.11 1.01 -1.26 -0.31 121.20 130.12 2wnj s ILE 40 Ca -0.01 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 2wnj s ILE 40 Cb -0.05 -4.32 -0.31 0.00 0.01 0.00 0.00 42.46 37.79 2wnj s ILE 40 CO -0.06 -0.82 0.84 0.58 0.00 0.00 0.00 174.94 175.47 2wnj h VAL 41 N 5.88 1.40 -2.95 2.92 2.07 -1.26 -3.41 116.25 120.90 2wnj h VAL 41 Ca -0.27 -2.52 -0.14 0.00 0.82 0.00 0.00 66.70 64.58 2wnj h VAL 41 Cb 1.09 3.10 -0.24 0.00 -1.52 0.00 0.00 31.29 33.71 2wnj h VAL 41 CO 0.97 0.72 -0.33 -0.75 0.02 0.00 0.00 177.57 178.20 2wnj s LYS 42 N -2.45 0.41 -0.20 1.57 2.20 -1.21 -4.87 119.74 115.18 2wnj s LYS 42 Ca -0.14 0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.85 2wnj s LYS 42 Cb 0.02 0.20 0.06 0.00 -1.51 0.00 0.00 37.83 36.59 2wnj s LYS 42 CO 0.83 -0.06 -0.01 0.00 -0.36 0.00 0.00 175.35 175.75 2wnj s ALA 43 N 0.04 1.41 -0.44 3.13 0.00 -1.26 -0.54 121.76 124.10 2wnj s ALA 43 Ca -0.01 -0.93 -0.13 0.00 0.00 0.00 0.00 51.96 50.90 2wnj s ALA 43 Cb -0.03 -1.24 0.07 0.00 0.00 0.00 0.00 23.12 21.92 2wnj s ALA 43 CO 0.01 -1.08 0.32 0.34 0.00 0.00 0.00 175.76 175.35 2wnj s ASP 44 N 1.66 5.93 0.00 0.00 -1.08 0.43 -4.93 116.67 118.68 2wnj s ASP 44 Ca -0.02 -1.32 0.28 0.00 -0.52 0.00 0.00 52.55 50.97 2wnj s ASP 44 Cb -0.17 -2.10 1.33 0.00 -1.46 0.00 0.00 42.92 40.52 2wnj s ASP 44 CO -0.07 -0.57 1.95 -1.54 0.52 0.00 0.00 175.17 175.46 2wnj n SER 45 N 5.08 0.00 0.11 -0.34 3.41 -1.26 -0.55 113.62 120.07 2wnj n SER 45 Ca -0.11 0.18 0.02 0.00 -0.26 0.00 0.00 58.87 58.69 2wnj n SER 45 Cb 0.44 -0.39 -0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2wnj n SER 45 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2wnj h SER 46 N 0.00 0.00 0.00 4.04 4.64 -1.95 -3.37 113.55 116.91 2wnj h SER 46 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wnj h SER 46 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2wnj h SER 46 CO 0.00 0.52 0.00 0.35 -0.87 0.00 0.00 176.83 176.83 2wnj n THR 47 N -3.14 0.00 -3.71 2.95 -2.24 -1.17 -5.03 114.28 101.94 2wnj n THR 47 Ca -0.01 -0.45 -0.30 0.00 -2.27 0.00 0.00 64.05 61.03 2wnj n THR 47 Cb 0.76 1.04 0.03 0.00 -2.10 0.00 0.00 70.33 70.07 2wnj n THR 47 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2wnj n ASN 48 N -0.54 -4.34 -4.18 3.42 3.02 0.29 -4.93 115.26 108.00 2wnj n ASN 48 Ca 0.00 -1.00 -0.27 0.00 -0.03 0.00 0.00 54.58 53.28 2wnj n ASN 48 Cb 0.01 -3.41 -0.16 0.00 -0.61 0.00 0.00 39.78 35.62 2wnj n ASN 48 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2wnj s GLU 49 N -6.04 1.77 -0.01 3.52 2.02 -1.09 -1.71 118.70 117.16 2wnj s GLU 49 Ca 0.38 -0.69 0.06 0.00 0.02 0.00 0.00 54.97 54.74 2wnj s GLU 49 Cb -0.13 -1.61 -0.01 0.00 0.10 0.00 0.00 34.13 32.47 2wnj s GLU 49 CO 0.86 0.35 -0.19 0.08 0.02 0.00 0.00 175.26 176.38 2wnj s VAL 50 N -0.24 1.50 -0.23 2.63 1.01 -0.47 -0.43 120.40 124.16 2wnj s VAL 50 Ca 0.02 -0.82 -0.06 0.00 0.00 0.00 0.00 61.98 61.12 2wnj s VAL 50 Cb -0.10 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 2wnj s VAL 50 CO 0.01 0.41 0.03 -1.81 0.00 0.00 0.00 175.10 173.74 2wnj s ASP 51 N -0.47 4.83 0.03 3.32 1.11 0.30 -1.49 116.67 124.31 2wnj s ASP 51 Ca 0.07 -0.27 0.04 0.00 0.18 0.00 0.00 52.55 52.58 2wnj s ASP 51 Cb -0.07 -1.85 -0.04 0.00 1.07 0.00 0.00 42.92 42.03 2wnj s ASP 51 CO -0.01 -0.02 -0.07 -0.76 1.18 0.00 0.00 175.17 175.50 2wnj s LEU 52 N 1.51 3.17 -0.15 1.23 1.43 -0.29 -0.67 118.68 124.89 2wnj s LEU 52 Ca 0.06 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 2wnj s LEU 52 Cb -0.15 -1.86 -0.00 0.00 0.03 0.00 0.00 46.19 44.21 2wnj s LEU 52 CO 0.01 0.25 -0.15 -0.69 0.23 0.00 0.00 176.35 176.00 2wnj s VAL 53 N -1.07 2.73 0.24 -1.59 1.01 0.58 -0.75 120.40 121.55 2wnj s VAL 53 Ca 0.19 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 2wnj s VAL 53 Cb -0.11 -2.16 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 2wnj s VAL 53 CO 0.10 0.51 0.46 -0.72 0.00 0.00 0.00 175.10 175.45 2wnj s TYR 54 N 0.78 0.37 0.09 5.22 -0.85 -0.79 -0.74 117.35 121.43 2wnj s TYR 54 Ca -0.06 -0.72 0.08 0.00 -0.52 0.00 0.00 57.07 55.85 2wnj s TYR 54 Cb -0.15 0.16 -0.03 0.00 0.38 0.00 0.00 41.96 42.32 2wnj s TYR 54 CO 0.01 -0.97 -0.22 1.52 -1.52 0.00 0.00 175.55 174.37 2wnj s TYR 55 N -4.01 1.87 -0.25 -3.49 -0.85 -0.09 -0.86 117.35 109.66 2wnj s TYR 55 Ca 0.22 -0.40 -0.07 0.00 -0.52 0.00 0.00 57.07 56.30 2wnj s TYR 55 Cb -0.00 -1.04 -0.02 0.00 0.38 0.00 0.00 41.96 41.27 2wnj s TYR 55 CO 0.08 0.20 0.05 -2.00 -1.52 0.00 0.00 175.55 172.36 2wnj s GLU 56 N -1.76 3.54 -0.21 -3.49 2.12 -0.61 -0.91 118.70 117.40 2wnj s GLU 56 Ca 0.08 -0.54 -0.20 0.00 0.36 0.00 0.00 54.97 54.66 2wnj s GLU 56 Cb -0.10 -3.26 -0.02 0.00 0.26 0.00 0.00 34.13 31.00 2wnj s GLU 56 CO 0.04 -0.22 0.61 -0.65 -0.54 0.00 0.00 175.26 174.51 2wnj s GLN 57 N 1.58 4.19 -0.05 4.30 1.11 0.23 -2.97 119.66 128.05 2wnj s GLN 57 Ca 0.06 0.57 0.05 0.00 0.01 0.00 0.00 55.36 56.06 2wnj s GLN 57 Cb -0.15 -3.59 -0.01 0.00 -1.01 0.00 0.00 33.01 28.25 2wnj s GLN 57 CO 0.02 -0.26 -0.22 -0.65 0.01 0.00 0.00 175.29 174.18 2wnj s GLN 58 N 2.00 2.29 -0.04 2.91 -0.21 0.38 -1.38 119.66 125.62 2wnj s GLN 58 Ca 0.27 -0.81 -0.03 0.00 0.02 0.00 0.00 55.36 54.82 2wnj s GLN 58 Cb -0.16 -1.96 0.01 0.00 1.00 0.00 0.00 33.01 31.91 2wnj s GLN 58 CO 0.10 0.33 0.10 1.03 -2.12 0.00 0.00 175.29 174.74 2wnj s ARG 59 N -0.09 0.11 0.31 2.91 0.52 -0.33 -0.92 118.95 121.45 2wnj s ARG 59 Ca -0.04 0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 55.24 2wnj s ARG 59 Cb -0.13 0.02 0.01 0.00 0.52 0.00 0.00 34.95 35.37 2wnj s ARG 59 CO 0.03 -0.04 0.57 1.67 0.02 0.00 0.00 175.30 177.55 2wnj s TRP 60 N 0.21 0.51 -0.05 -0.53 -2.14 -0.79 -0.31 118.94 115.85 2wnj s TRP 60 Ca -0.01 -0.91 -0.02 0.00 2.66 0.00 0.00 56.10 57.82 2wnj s TRP 60 Cb -0.02 0.28 0.04 0.00 -3.10 0.00 0.00 33.47 30.66 2wnj s TRP 60 CO -0.01 -1.19 0.11 0.21 -2.66 0.00 0.00 176.95 173.41 2wnj s LYS 61 N -3.28 0.05 -0.10 3.25 2.20 -1.26 0.16 119.74 120.75 2wnj s LYS 61 Ca 0.23 0.32 0.02 0.00 -0.36 0.00 0.00 55.97 56.18 2wnj s LYS 61 Cb -0.02 -0.21 0.01 0.00 -1.51 0.00 0.00 37.83 36.10 2wnj s LYS 61 CO 0.13 -0.17 -0.17 -0.51 -0.36 0.00 0.00 175.35 174.27 2wnj s LEU 62 N 1.19 1.84 0.48 5.43 1.43 -0.27 -4.95 118.68 123.83 2wnj s LEU 62 Ca -0.09 -0.45 0.16 0.00 -1.03 0.00 0.00 54.13 52.72 2wnj s LEU 62 Cb -0.12 -1.15 1.15 0.00 0.03 0.00 0.00 46.19 46.10 2wnj s LEU 62 CO -0.05 0.06 2.05 0.78 0.23 0.00 0.00 176.35 179.42 2wnj h ASN 63 N 7.16 0.19 0.62 2.29 4.21 -1.87 -1.28 115.58 126.90 2wnj h ASN 63 Ca -0.29 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.23 2wnj h ASN 63 Cb 1.19 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 38.35 2wnj h ASN 63 CO 0.49 0.13 0.00 -1.54 -1.29 0.00 0.00 177.43 175.22 2wnj n SER 64 N -4.47 0.69 -1.23 5.81 3.41 -1.26 -2.15 113.62 114.42 2wnj n SER 64 Ca 0.05 0.69 0.10 0.00 -0.26 0.00 0.00 58.87 59.45 2wnj n SER 64 Cb 0.29 -0.83 0.29 0.00 -0.26 0.00 0.00 64.21 63.70 2wnj n SER 64 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wnj n LEU 65 N -2.28 3.57 -4.84 1.04 4.77 -0.48 -4.99 117.00 113.79 2wnj n LEU 65 Ca 0.01 -1.79 -0.32 0.00 -0.03 0.00 0.00 56.01 53.88 2wnj n LEU 65 Cb 0.20 -0.45 -0.06 0.00 -2.33 0.00 0.00 43.42 40.78 2wnj n LEU 65 CO 0.18 0.84 0.58 -0.04 -1.33 0.00 0.00 177.39 177.62 2wnj s MET 66 N -1.24 4.09 0.13 3.23 -1.94 -0.91 -3.98 119.30 118.68 2wnj s MET 66 Ca 0.43 0.92 -0.18 0.00 -1.71 0.00 0.00 55.69 55.15 2wnj s MET 66 Cb 0.23 -2.25 0.05 0.00 2.01 0.00 0.00 34.83 34.87 2wnj s MET 66 CO 0.28 -0.02 0.46 1.67 -0.01 0.00 0.00 175.02 177.40 2wnj s TRP 67 N -2.22 -0.31 -0.45 -0.03 -2.14 -0.61 -4.95 118.94 108.23 2wnj s TRP 67 Ca 0.59 0.03 -0.25 0.00 2.66 0.00 0.00 56.10 59.13 2wnj s TRP 67 Cb -0.10 0.35 0.03 0.00 -3.10 0.00 0.00 33.47 30.65 2wnj s TRP 67 CO 0.19 -0.74 0.87 0.34 -2.66 0.00 0.00 176.95 174.95 2wnj s ASP 68 N -2.76 6.48 0.32 -2.66 -1.08 -1.26 -4.66 116.67 111.05 2wnj s ASP 68 Ca 0.02 0.07 0.10 0.00 -0.52 0.00 0.00 52.55 52.22 2wnj s ASP 68 Cb 0.01 -2.43 0.90 0.00 -1.46 0.00 0.00 42.92 39.95 2wnj s ASP 68 CO -0.12 -0.98 1.73 -0.65 0.52 0.00 0.00 175.17 175.67 2wnj h PRO 69 N 8.99 0.55 -0.68 4.34 0.11 -1.93 -1.69 132.00 141.69 2wnj h PRO 69 Ca -0.24 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.03 2wnj h PRO 69 Cb 1.08 -0.12 -0.03 0.00 0.11 0.00 0.00 31.00 32.04 2wnj h PRO 69 CO 1.00 0.36 0.51 -0.91 -0.21 0.00 0.00 178.00 178.75 2wnj h ASN 70 N 0.57 0.00 -0.67 -2.05 -0.26 -1.92 0.16 115.58 111.41 2wnj h ASN 70 Ca 0.64 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.38 2wnj h ASN 70 Cb 1.25 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.51 2wnj h ASN 70 CO -0.47 0.00 0.00 -1.84 -1.06 0.00 0.00 177.43 174.06 2wnj n GLU 71 N -4.23 2.68 -2.64 0.81 0.28 -0.64 -4.36 120.64 112.54 2wnj n GLU 71 Ca 0.13 -2.59 -0.15 0.00 -0.16 0.00 0.00 57.16 54.39 2wnj n GLU 71 Cb 0.77 -1.56 0.02 0.00 1.43 0.00 0.00 31.44 32.09 2wnj n GLU 71 CO 0.00 0.00 0.00 0.66 -0.16 0.00 0.00 177.13 177.63 2wnj n TYR 72 N 1.64 1.83 -2.40 -1.84 4.01 0.21 -4.97 117.16 115.64 2wnj n TYR 72 Ca 0.24 -2.96 -0.20 0.00 -0.16 0.00 0.00 57.90 54.82 2wnj n TYR 72 Cb 0.62 -0.30 -0.01 0.00 -0.31 0.00 0.00 39.34 39.35 2wnj n TYR 72 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wnj n GLY 73 N -0.17 -0.49 2.52 2.72 0.00 -1.21 -1.94 105.19 106.63 2wnj n GLY 73 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 2wnj n GLY 73 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wnj n ASN 74 N -2.00 -5.41 -4.70 1.61 3.02 0.31 -4.96 115.26 103.13 2wnj n ASN 74 Ca -0.24 -0.02 -0.42 0.00 -0.03 0.00 0.00 54.58 53.87 2wnj n ASN 74 Cb 0.68 -4.50 -0.03 0.00 -0.61 0.00 0.00 39.78 35.33 2wnj n ASN 74 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wnj s ILE 75 N -2.96 3.04 -0.22 2.41 1.01 -0.82 -4.90 121.20 118.77 2wnj s ILE 75 Ca 0.05 0.65 0.15 0.00 0.00 0.00 0.00 60.65 61.50 2wnj s ILE 75 Cb -0.02 -3.42 -0.21 0.00 0.01 0.00 0.00 42.46 38.82 2wnj s ILE 75 CO 0.07 0.03 0.41 0.35 0.00 0.00 0.00 174.94 175.79 2wnj n THR 76 N 4.29 0.00 -3.55 2.92 -2.24 -1.26 -4.32 114.28 110.12 2wnj n THR 76 Ca 0.14 -0.28 -0.08 0.00 -2.27 0.00 0.00 64.05 61.56 2wnj n THR 76 Cb 0.41 0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 69.03 2wnj n THR 76 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 2wnj s ASP 77 N -3.29 -0.34 0.15 3.42 1.47 -1.26 -1.01 116.67 115.80 2wnj s ASP 77 Ca -0.02 -0.08 -0.17 0.00 1.18 0.00 0.00 52.55 53.45 2wnj s ASP 77 Cb 0.10 0.42 0.04 0.00 -0.34 0.00 0.00 42.92 43.14 2wnj s ASP 77 CO 0.61 -0.70 0.47 0.72 0.68 0.00 0.00 175.17 176.94 2wnj s PHE 78 N -3.20 -0.22 0.04 2.11 -0.12 -0.10 -5.00 117.98 111.48 2wnj s PHE 78 Ca 0.06 -0.09 -0.13 0.00 -0.05 0.00 0.00 56.93 56.73 2wnj s PHE 78 Cb -0.01 0.34 -0.06 0.00 -0.63 0.00 0.00 43.02 42.66 2wnj s PHE 78 CO -0.07 -0.79 0.41 1.03 -0.05 0.00 0.00 175.22 175.76 2wnj s ARG 79 N -3.82 3.86 -0.03 1.99 3.00 -1.26 -1.04 118.95 121.65 2wnj s ARG 79 Ca 0.05 0.33 -0.16 0.00 0.00 0.00 0.00 55.73 55.95 2wnj s ARG 79 Cb 0.01 -3.12 0.03 0.00 0.00 0.00 0.00 34.95 31.87 2wnj s ARG 79 CO -0.09 0.63 0.34 -0.08 0.00 0.00 0.00 175.30 176.10 2wnj s THR 80 N -1.22 0.05 0.20 0.02 -1.32 -0.34 -4.98 115.64 108.05 2wnj s THR 80 Ca 0.28 -0.38 -0.32 0.00 -1.21 0.00 0.00 61.69 60.05 2wnj s THR 80 Cb -0.16 -0.63 -0.15 0.00 -1.51 0.00 0.00 72.50 70.06 2wnj s THR 80 CO 0.15 -0.21 1.33 -0.24 -2.21 0.00 0.00 174.62 173.44 2wnj n SER 81 N 1.45 2.19 0.31 8.08 2.88 -1.26 -0.40 113.62 126.87 2wnj n SER 81 Ca -0.20 1.13 0.19 0.00 -1.33 0.00 0.00 58.87 58.66 2wnj n SER 81 Cb 0.56 -1.33 1.03 0.00 -0.75 0.00 0.00 64.21 63.72 2wnj n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wnj h ALA 82 N 4.11 1.32 0.00 -1.46 0.00 -1.37 -0.92 119.26 120.94 2wnj h ALA 82 Ca -0.45 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.45 2wnj h ALA 82 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 2wnj h ALA 82 CO 0.75 -0.07 -0.07 0.00 0.00 0.00 0.00 179.25 179.86 2wnj h ALA 83 N 1.92 1.04 0.00 0.00 0.00 -1.89 -2.97 119.26 117.36 2wnj h ALA 83 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wnj h ALA 83 Cb 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2wnj h ALA 83 CO -0.00 0.09 0.00 -0.44 0.00 0.00 0.00 179.25 178.90 2wnj h ASP 84 N 0.00 0.00 -3.83 0.00 3.32 -1.52 -3.46 116.42 110.93 2wnj h ASP 84 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 2wnj h ASP 84 Cb 0.50 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.90 2wnj h ASP 84 CO 0.01 0.00 -0.69 0.27 -1.72 0.00 0.00 179.24 177.11 2wnj s ILE 85 N -3.28 1.17 0.40 0.35 -4.36 -1.12 -5.00 121.20 109.36 2wnj s ILE 85 Ca 0.07 -2.06 -0.27 0.00 -0.26 0.00 0.00 60.65 58.13 2wnj s ILE 85 Cb 0.09 -2.10 -0.09 0.00 1.25 0.00 0.00 42.46 41.61 2wnj s ILE 85 CO 0.58 -0.54 1.37 0.86 0.24 0.00 0.00 174.94 177.45 2wnj s TRP 86 N -3.33 2.72 0.05 1.37 -0.00 -1.26 -4.96 118.94 113.53 2wnj s TRP 86 Ca 0.23 1.33 0.02 0.00 -0.00 0.00 0.00 56.10 57.68 2wnj s TRP 86 Cb 0.04 -3.80 -0.03 0.00 -0.00 0.00 0.00 33.47 29.68 2wnj s TRP 86 CO 0.05 -2.44 -0.08 0.95 -0.00 0.00 0.00 176.95 175.43 2wnj s THR 87 N -1.20 0.59 0.40 5.86 -4.23 -1.26 -5.10 115.64 110.69 2wnj s THR 87 Ca 0.56 -1.19 -0.25 0.00 -1.18 0.00 0.00 61.69 59.63 2wnj s THR 87 Cb -0.41 -0.75 -0.08 0.00 1.34 0.00 0.00 72.50 72.59 2wnj s THR 87 CO 0.54 -0.43 1.15 -2.16 -0.54 0.00 0.00 174.62 173.18 2wnj s PRO 88 N -1.84 4.07 -0.70 3.99 0.04 -1.26 -4.92 135.00 134.38 2wnj s PRO 88 Ca -0.07 1.79 -0.06 0.00 0.04 0.00 0.00 61.00 62.70 2wnj s PRO 88 Cb -0.08 -2.66 -0.10 0.00 0.04 0.00 0.00 34.50 31.70 2wnj s PRO 88 CO -0.00 -0.29 3.11 -0.40 0.04 0.00 0.00 177.00 179.45 2wnj n ASP 89 N 0.06 6.80 -4.67 6.66 5.75 -1.26 -4.95 116.55 124.94 2wnj n ASP 89 Ca 0.04 -2.75 -0.42 0.00 -0.01 0.00 0.00 54.79 51.65 2wnj n ASP 89 Cb 0.47 -1.41 -0.03 0.00 -1.03 0.00 0.00 41.12 39.12 2wnj n ASP 89 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2wnj s ILE 90 N 0.32 3.84 -0.01 2.12 -1.09 -1.26 -2.99 121.20 122.13 2wnj s ILE 90 Ca 0.64 1.12 0.02 0.00 -2.23 0.00 0.00 60.65 60.21 2wnj s ILE 90 Cb 0.28 -3.72 -0.00 0.00 -1.58 0.00 0.00 42.46 37.43 2wnj s ILE 90 CO -0.08 -0.05 -0.06 -0.89 -1.23 0.00 0.00 174.94 172.63 2wnj s THR 91 N 3.08 0.49 0.21 2.92 2.01 0.34 -4.90 115.64 119.79 2wnj s THR 91 Ca 0.64 -0.25 -0.30 0.00 0.31 0.00 0.00 61.69 62.09 2wnj s THR 91 Cb -0.29 -0.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.70 2wnj s THR 91 CO 0.24 0.15 1.23 0.00 -0.69 0.00 0.00 174.62 175.55 2wnj s ALA 92 N -0.02 3.47 -1.56 7.40 0.00 -1.26 -1.64 121.76 128.15 2wnj s ALA 92 Ca 0.01 1.02 0.27 0.00 0.00 0.00 0.00 51.96 53.26 2wnj s ALA 92 Cb -0.04 -3.43 0.95 0.00 0.00 0.00 0.00 23.12 20.60 2wnj s ALA 92 CO -0.00 -0.43 1.69 0.66 0.00 0.00 0.00 175.76 177.68 2wnj n TYR 93 N 2.32 0.00 -2.64 0.00 4.02 0.34 -4.09 117.16 117.11 2wnj n TYR 93 Ca 0.04 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.95 2wnj n TYR 93 Cb 0.44 -0.19 0.03 0.00 -0.02 0.00 0.00 39.34 39.60 2wnj n TYR 93 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 2wnj n SER 94 N -0.95 1.19 -4.76 7.72 3.41 -1.26 -4.98 113.62 113.99 2wnj n SER 94 Ca 0.12 -2.01 -0.32 0.00 -0.26 0.00 0.00 58.87 56.40 2wnj n SER 94 Cb 0.32 -0.36 0.07 0.00 -0.26 0.00 0.00 64.21 63.98 2wnj n SER 94 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2wnj s SER 95 N -2.73 4.69 0.00 4.04 1.04 -1.26 -1.55 113.70 117.94 2wnj s SER 95 Ca 0.30 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.72 2wnj s SER 95 Cb 0.36 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.93 2wnj s SER 95 CO -0.11 -1.91 0.48 0.35 0.98 0.00 0.00 173.24 173.03 2wnj n THR 96 N -2.92 0.05 -3.76 2.02 -2.24 -0.25 -4.82 114.28 102.37 2wnj n THR 96 Ca 0.10 -0.48 -0.10 0.00 -2.27 0.00 0.00 64.05 61.30 2wnj n THR 96 Cb 0.52 1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 69.75 2wnj n THR 96 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2wnj s ARG 97 N -0.05 0.88 0.43 -0.78 0.52 -1.25 -5.05 118.95 113.65 2wnj s ARG 97 Ca 0.00 -0.69 -0.26 0.00 -0.52 0.00 0.00 55.73 54.26 2wnj s ARG 97 Cb 0.00 0.38 -0.09 0.00 0.52 0.00 0.00 34.95 35.75 2wnj s ARG 97 CO 0.00 -0.30 1.46 -2.30 0.02 0.00 0.00 175.30 174.18 2wnj n PRO 98 N 0.20 2.42 -1.88 3.54 -0.02 -1.26 -4.65 135.00 133.35 2wnj n PRO 98 Ca -0.17 0.86 -0.38 0.00 -2.02 0.00 0.00 63.50 61.79 2wnj n PRO 98 Cb 0.61 -2.66 0.03 0.00 -0.02 0.00 0.00 33.50 31.46 2wnj n PRO 98 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2wnj s VAL 99 N -1.17 2.28 -0.20 -1.45 -7.23 -1.26 -4.85 120.40 106.52 2wnj s VAL 99 Ca 0.58 0.21 -0.06 0.00 -1.81 0.00 0.00 61.98 60.91 2wnj s VAL 99 Cb -0.46 -3.11 -0.03 0.00 0.56 0.00 0.00 36.38 33.34 2wnj s VAL 99 CO 0.60 0.00 0.03 -1.10 -0.31 0.00 0.00 175.10 174.32 2wnj s GLN 100 N -2.80 3.74 -0.11 4.82 -0.21 -0.74 -4.98 119.66 119.38 2wnj s GLN 100 Ca 0.69 -0.46 -0.22 0.00 0.02 0.00 0.00 55.36 55.38 2wnj s GLN 100 Cb -0.39 -3.17 -0.03 0.00 1.00 0.00 0.00 33.01 30.42 2wnj s GLN 100 CO 0.46 0.06 0.67 0.08 -2.12 0.00 0.00 175.29 174.45 2wnj s VAL 101 N 0.91 5.04 -1.23 1.09 1.01 -1.26 -1.41 120.40 124.54 2wnj s VAL 101 Ca 0.02 1.35 0.12 0.00 0.00 0.00 0.00 61.98 63.47 2wnj s VAL 101 Cb -0.14 -4.00 0.04 0.00 0.00 0.00 0.00 36.38 32.27 2wnj s VAL 101 CO 0.02 0.20 0.77 0.18 0.00 0.00 0.00 175.10 176.27 2wnj n LEU 102 N 4.20 1.60 -4.18 3.92 4.77 0.27 -4.98 117.00 122.59 2wnj n LEU 102 Ca -0.01 -0.86 -0.14 0.00 -0.03 0.00 0.00 56.01 54.97 2wnj n LEU 102 Cb 0.51 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 2wnj n LEU 102 CO 0.46 0.31 -0.41 -0.94 -1.33 0.00 0.00 177.39 175.48 2wnj s SER 103 N -1.28 1.41 0.32 -1.43 1.04 -1.24 -4.89 113.70 107.63 2wnj s SER 103 Ca 0.11 -0.85 -0.29 0.00 0.48 0.00 0.00 55.95 55.41 2wnj s SER 103 Cb 0.10 0.02 -0.12 0.00 0.10 0.00 0.00 66.02 66.11 2wnj s SER 103 CO 0.23 -0.30 1.39 -2.65 0.98 0.00 0.00 173.24 172.89 2wnj n PRO 104 N 0.43 2.29 -2.49 4.02 -0.02 -1.26 -4.82 135.00 133.16 2wnj n PRO 104 Ca -0.15 0.81 -0.43 0.00 -2.02 0.00 0.00 63.50 61.71 2wnj n PRO 104 Cb 0.58 -2.46 0.00 0.00 -0.02 0.00 0.00 33.50 31.61 2wnj n PRO 104 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2wnj n GLN 105 N 1.00 3.40 -4.25 -0.52 1.13 -1.26 -4.88 117.38 112.00 2wnj n GLN 105 Ca 0.06 -3.49 -0.20 0.00 -1.94 0.00 0.00 57.00 51.43 2wnj n GLN 105 Cb 0.36 -3.07 -0.16 0.00 0.11 0.00 0.00 30.24 27.48 2wnj n GLN 105 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2wnj s ILE 106 N 1.51 0.62 0.37 5.09 1.01 -1.26 -0.94 121.20 127.60 2wnj s ILE 106 Ca 0.43 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.94 2wnj s ILE 106 Cb 0.05 -0.60 -0.05 0.00 0.01 0.00 0.00 42.46 41.88 2wnj s ILE 106 CO 0.00 0.22 0.15 0.00 0.00 0.00 0.00 174.94 175.31 2wnj s ALA 107 N 0.56 3.52 -0.17 9.38 0.00 0.47 -4.65 121.76 130.87 2wnj s ALA 107 Ca -0.08 -1.95 -0.02 0.00 0.00 0.00 0.00 51.96 49.91 2wnj s ALA 107 Cb -0.11 -0.57 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 2wnj s ALA 107 CO 0.00 -0.05 -0.09 0.08 0.00 0.00 0.00 175.76 175.71 2wnj s VAL 108 N -2.50 3.21 -0.13 0.00 1.01 -0.25 -1.19 120.40 120.54 2wnj s VAL 108 Ca 0.39 -0.58 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2wnj s VAL 108 Cb 0.00 -2.40 -0.02 0.00 0.00 0.00 0.00 36.38 33.96 2wnj s VAL 108 CO 0.22 0.49 -0.08 -0.69 0.00 0.00 0.00 175.10 175.04 2wnj s VAL 109 N 0.81 3.49 0.20 2.92 1.01 -0.21 -0.91 120.40 127.72 2wnj s VAL 109 Ca -0.03 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.52 2wnj s VAL 109 Cb -0.15 -2.49 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 2wnj s VAL 109 CO 0.01 0.52 0.02 -0.89 0.00 0.00 0.00 175.10 174.75 2wnj s THR 110 N 0.22 3.72 0.50 3.92 2.01 -0.04 -0.93 115.64 125.04 2wnj s THR 110 Ca -0.05 -1.54 0.41 0.00 0.31 0.00 0.00 61.69 60.82 2wnj s THR 110 Cb -0.15 -2.91 0.43 0.00 0.01 0.00 0.00 72.50 69.88 2wnj s THR 110 CO 0.04 -0.20 2.26 1.12 -0.69 0.00 0.00 174.62 177.15 2wnj h HIS 111 N 2.40 0.00 -0.02 4.92 2.07 -1.38 0.23 115.15 123.37 2wnj h HIS 111 Ca -0.46 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.06 2wnj h HIS 111 Cb 1.22 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.20 2wnj h HIS 111 CO 0.63 0.00 0.00 -0.40 -3.07 0.00 0.00 177.93 175.09 2wnj n ASP 112 N -3.05 0.28 0.00 3.10 5.75 -1.26 -1.57 116.55 119.80 2wnj n ASP 112 Ca -0.02 -1.33 0.00 0.00 -0.01 0.00 0.00 54.79 53.43 2wnj n ASP 112 Cb 0.13 -0.01 0.00 0.00 -1.03 0.00 0.00 41.12 40.20 2wnj n ASP 112 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2wnj n GLY 113 N 0.91 0.73 3.78 6.12 0.00 0.81 -4.73 105.19 112.83 2wnj n GLY 113 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 2wnj n GLY 113 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wnj s SER 114 N -2.76 7.31 -0.04 1.61 1.04 -1.21 -1.11 113.70 118.54 2wnj s SER 114 Ca 0.00 1.83 0.06 0.00 0.48 0.00 0.00 55.95 58.32 2wnj s SER 114 Cb 0.00 -2.58 -0.01 0.00 0.10 0.00 0.00 66.02 63.53 2wnj s SER 114 CO 0.00 -0.09 -0.21 -0.69 0.98 0.00 0.00 173.24 173.23 2wnj s VAL 115 N -1.65 1.71 -0.09 5.02 1.01 0.12 -0.86 120.40 125.66 2wnj s VAL 115 Ca 0.51 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.64 2wnj s VAL 115 Cb -0.18 -1.45 -0.00 0.00 0.00 0.00 0.00 36.38 34.75 2wnj s VAL 115 CO 0.23 0.48 -0.24 -0.04 0.00 0.00 0.00 175.10 175.53 2wnj s MET 116 N -0.22 2.95 -0.02 2.72 -1.94 -0.08 -1.88 119.30 120.82 2wnj s MET 116 Ca 0.01 -0.88 -0.00 0.00 -1.71 0.00 0.00 55.69 53.10 2wnj s MET 116 Cb -0.11 -2.27 0.03 0.00 2.01 0.00 0.00 34.83 34.49 2wnj s MET 116 CO 0.01 0.22 0.03 0.12 -0.01 0.00 0.00 175.02 175.39 2wnj s PHE 117 N 0.24 0.08 -0.54 -0.03 5.36 -0.10 -1.09 117.98 121.91 2wnj s PHE 117 Ca -0.16 0.12 0.06 0.00 -0.96 0.00 0.00 56.93 55.99 2wnj s PHE 117 Cb -0.17 -0.29 0.22 0.00 -0.34 0.00 0.00 43.02 42.43 2wnj s PHE 117 CO 0.08 -0.11 0.56 -0.89 -1.46 0.00 0.00 175.22 173.40 2wnj n ILE 118 N 4.29 0.65 -2.38 3.12 -0.00 -1.26 -0.47 119.36 123.32 2wnj n ILE 118 Ca -0.25 -4.46 -0.42 0.00 -0.00 0.00 0.00 62.75 57.62 2wnj n ILE 118 Cb 0.50 -1.99 -0.03 0.00 -0.00 0.00 0.00 39.64 38.12 2wnj n ILE 118 CO 0.00 0.00 0.00 -2.16 -0.00 0.00 0.00 176.55 174.39 2wnj s PRO 119 N -1.43 4.43 0.09 0.38 0.04 -1.16 -4.78 135.00 132.57 2wnj s PRO 119 Ca 0.34 1.83 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 2wnj s PRO 119 Cb 0.10 -3.31 -0.07 0.00 0.04 0.00 0.00 34.50 31.26 2wnj s PRO 119 CO -0.11 -0.25 0.52 0.00 0.04 0.00 0.00 177.00 177.19 2wnj s ALA 120 N 0.88 3.62 -0.03 8.56 0.00 -1.26 -1.57 121.76 131.96 2wnj s ALA 120 Ca 0.59 -0.12 -0.07 0.00 0.00 0.00 0.00 51.96 52.35 2wnj s ALA 120 Cb -0.31 -2.51 0.01 0.00 0.00 0.00 0.00 23.12 20.31 2wnj s ALA 120 CO 0.31 0.45 0.16 -0.65 0.00 0.00 0.00 175.76 176.03 2wnj s GLN 121 N -1.55 0.39 -0.20 0.00 -0.21 -0.04 -0.57 119.66 117.48 2wnj s GLN 121 Ca 0.32 -0.14 -0.07 0.00 0.02 0.00 0.00 55.36 55.49 2wnj s GLN 121 Cb -0.16 0.17 -0.04 0.00 1.00 0.00 0.00 33.01 33.98 2wnj s GLN 121 CO 0.18 -0.08 0.06 0.50 -2.12 0.00 0.00 175.29 173.83 2wnj s ARG 122 N -0.82 3.88 -0.09 2.91 3.52 -0.50 -1.89 118.95 125.95 2wnj s ARG 122 Ca -0.09 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.15 2wnj s ARG 122 Cb -0.05 -3.23 0.01 0.00 -1.56 0.00 0.00 34.95 30.12 2wnj s ARG 122 CO 0.01 0.15 -0.17 -1.17 -0.81 0.00 0.00 175.30 173.32 2wnj s LEU 123 N 0.70 1.81 -0.13 -0.88 2.96 0.07 -1.79 118.68 121.42 2wnj s LEU 123 Ca 0.03 -0.43 -0.13 0.00 -0.22 0.00 0.00 54.13 53.38 2wnj s LEU 123 Cb -0.13 -1.10 -0.05 0.00 0.50 0.00 0.00 46.19 45.41 2wnj s LEU 123 CO 0.02 0.06 0.30 -0.44 -1.32 0.00 0.00 176.35 174.97 2wnj s SER 124 N 0.71 6.49 0.18 3.68 0.01 -1.26 -1.14 113.70 122.36 2wnj s SER 124 Ca -0.12 0.57 -0.03 0.00 1.31 0.00 0.00 55.95 57.68 2wnj s SER 124 Cb -0.16 -2.18 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 2wnj s SER 124 CO 0.03 0.15 0.16 0.72 0.41 0.00 0.00 173.24 174.72 2wnj s PHE 125 N 0.13 0.90 -0.21 2.43 -0.12 -0.55 -1.09 117.98 119.47 2wnj s PHE 125 Ca 0.18 -1.20 -0.29 0.00 -0.05 0.00 0.00 56.93 55.57 2wnj s PHE 125 Cb -0.13 -0.40 -0.02 0.00 -0.63 0.00 0.00 43.02 41.84 2wnj s PHE 125 CO 0.05 -0.65 1.44 -1.64 -0.05 0.00 0.00 175.22 174.37 2wnj s MET 126 N -4.09 3.99 -0.29 1.99 -1.94 -0.59 -1.37 119.30 117.00 2wnj s MET 126 Ca 0.30 1.61 -0.13 0.00 -1.71 0.00 0.00 55.69 55.77 2wnj s MET 126 Cb 0.06 -3.92 0.10 0.00 2.01 0.00 0.00 34.83 33.08 2wnj s MET 126 CO 0.07 -1.03 0.66 0.00 -0.01 0.00 0.00 175.02 174.71 2wnj s ASP 128 N 2.19 6.27 -0.01 0.00 -1.08 -1.26 -3.17 116.67 119.62 2wnj s ASP 128 Ca -0.08 -0.56 0.02 0.00 -0.52 0.00 0.00 52.55 51.40 2wnj s ASP 128 Cb -0.08 -2.30 0.07 0.00 -1.46 0.00 0.00 42.92 39.15 2wnj s ASP 128 CO -0.19 -0.79 0.83 -0.81 0.52 0.00 0.00 175.17 174.73 2wnj n PRO 129 N 6.16 1.25 -1.68 4.34 -0.04 -1.26 -4.66 135.00 139.11 2wnj n PRO 129 Ca -0.04 -0.26 -0.46 0.00 -0.04 0.00 0.00 63.50 62.70 2wnj n PRO 129 Cb 0.47 -1.31 -0.04 0.00 -0.04 0.00 0.00 33.50 32.58 2wnj n PRO 129 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2wnj n THR 130 N -0.12 0.09 -0.02 0.52 -1.04 -1.26 -1.33 114.28 111.12 2wnj n THR 130 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 2wnj n THR 130 Cb 0.20 -1.66 0.00 0.00 -1.82 0.00 0.00 70.33 67.05 2wnj n THR 130 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wnj n GLY 131 N 3.64 0.29 0.24 3.41 0.00 -1.26 -4.42 105.19 107.09 2wnj n GLY 131 Ca 0.18 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 2wnj n GLY 131 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2wnj h VAL 132 N 0.00 0.99 -0.56 1.61 3.04 -1.40 -1.48 116.25 118.45 2wnj h VAL 132 Ca 0.00 -0.40 -0.30 0.00 -1.01 0.00 0.00 66.70 65.00 2wnj h VAL 132 Cb 0.00 1.22 -0.17 0.00 -2.01 0.00 0.00 31.29 30.33 2wnj h VAL 132 CO 0.00 0.11 0.38 -0.90 -1.01 0.00 0.00 177.57 176.15 2wnj n ASP 133 N -4.28 3.57 -4.25 3.17 5.75 -1.26 -0.38 116.55 118.87 2wnj n ASP 133 Ca -0.03 -2.92 -0.14 0.00 -0.01 0.00 0.00 54.79 51.70 2wnj n ASP 133 Cb 0.19 -0.71 -0.10 0.00 -1.03 0.00 0.00 41.12 39.47 2wnj n ASP 133 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 2wnj s SER 134 N -0.29 1.50 0.35 -1.12 1.04 -0.58 -5.02 113.70 109.60 2wnj s SER 134 Ca 0.32 -1.12 0.04 0.00 0.48 0.00 0.00 55.95 55.67 2wnj s SER 134 Cb 0.27 0.05 0.68 0.00 0.10 0.00 0.00 66.02 67.13 2wnj s SER 134 CO 0.06 -0.48 1.98 -0.08 0.98 0.00 0.00 173.24 175.70 2wnj h GLU 135 N 2.70 0.80 0.00 4.02 4.81 -1.90 -2.34 114.58 122.67 2wnj h GLU 135 Ca -0.37 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.71 2wnj h GLU 135 Cb 1.20 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 2wnj h GLU 135 CO 0.64 0.53 -0.48 0.93 -0.73 0.00 0.00 179.01 179.90 2wnj h GLU 136 N 0.82 0.00 0.00 1.92 3.07 -1.96 -3.50 114.58 114.94 2wnj h GLU 136 Ca 0.28 0.00 0.01 0.00 -0.50 0.00 0.00 59.36 59.15 2wnj h GLU 136 Cb 0.09 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2wnj h GLU 136 CO -0.08 0.48 -0.02 0.41 -1.40 0.00 0.00 179.01 178.40 2wnj n GLY 137 N 1.08 -2.04 3.78 -3.84 0.00 -0.88 -4.86 105.19 98.43 2wnj n GLY 137 Ca 0.02 -1.41 -0.24 0.00 0.00 0.00 0.00 46.02 44.39 2wnj n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wnj s ALA 138 N -1.13 3.49 -0.05 4.61 0.00 0.70 -4.31 121.76 125.07 2wnj s ALA 138 Ca 0.00 -1.38 0.02 0.00 0.00 0.00 0.00 51.96 50.60 2wnj s ALA 138 Cb 0.00 -1.23 0.02 0.00 0.00 0.00 0.00 23.12 21.91 2wnj s ALA 138 CO 0.00 0.36 -0.09 0.99 0.00 0.00 0.00 175.76 177.02 2wnj s THR 139 N -1.99 0.86 0.24 0.00 2.01 -1.26 -1.14 115.64 114.34 2wnj s THR 139 Ca 0.31 -0.32 0.01 0.00 0.31 0.00 0.00 61.69 62.01 2wnj s THR 139 Cb -0.09 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.56 2wnj s THR 139 CO 0.23 0.29 0.08 0.00 -0.69 0.00 0.00 174.62 174.53 2wnj s ALA 141 N -3.76 -0.74 -0.15 0.00 0.00 -1.26 -1.31 121.76 114.54 2wnj s ALA 141 Ca 0.35 0.39 -0.09 0.00 0.00 0.00 0.00 51.96 52.61 2wnj s ALA 141 Cb 0.07 -0.03 0.05 0.00 0.00 0.00 0.00 23.12 23.22 2wnj s ALA 141 CO 0.11 -0.24 0.36 0.54 0.00 0.00 0.00 175.76 176.54 2wnj s VAL 142 N -1.07 -0.03 0.01 0.00 0.11 -0.09 -4.90 120.40 114.44 2wnj s VAL 142 Ca -0.11 0.10 -0.15 0.00 -2.93 0.00 0.00 61.98 58.88 2wnj s VAL 142 Cb -0.05 -0.54 -0.06 0.00 -1.53 0.00 0.00 36.38 34.21 2wnj s VAL 142 CO 0.03 0.04 0.42 -0.54 -3.33 0.00 0.00 175.10 171.72 2wnj s LYS 143 N 1.21 3.93 -0.05 1.54 1.02 -1.26 -0.91 119.74 125.23 2wnj s LYS 143 Ca -0.08 0.43 0.06 0.00 0.02 0.00 0.00 55.97 56.39 2wnj s LYS 143 Cb -0.08 -3.21 -0.01 0.00 -0.52 0.00 0.00 37.83 34.01 2wnj s LYS 143 CO -0.10 0.68 -0.22 -0.06 -0.92 0.00 0.00 175.35 174.73 2wnj s PHE 144 N -1.09 2.15 0.01 3.18 0.08 0.33 -0.51 117.98 122.13 2wnj s PHE 144 Ca 0.24 -0.59 -0.29 0.00 0.12 0.00 0.00 56.93 56.41 2wnj s PHE 144 Cb -0.17 -1.41 0.11 0.00 -0.57 0.00 0.00 43.02 40.98 2wnj s PHE 144 CO 0.14 -0.17 1.24 0.20 -0.10 0.00 0.00 175.22 176.53 2wnj s GLY 145 N -0.17 -0.27 0.44 4.36 0.00 -0.65 -0.16 107.32 110.87 2wnj s GLY 145 Ca -0.01 0.37 -0.25 0.00 0.00 0.00 0.00 44.72 44.83 2wnj s GLY 145 CO 0.02 1.87 1.35 -1.26 0.00 0.00 0.00 173.10 175.07 2wnj n SER 146 N -0.72 2.90 0.11 1.64 2.88 -1.26 -0.51 113.62 118.66 2wnj n SER 146 Ca -0.05 1.11 -0.24 0.00 -1.33 0.00 0.00 58.87 58.36 2wnj n SER 146 Cb 0.61 -1.55 -0.15 0.00 -0.75 0.00 0.00 64.21 62.37 2wnj n SER 146 CO 0.00 0.00 0.00 -0.25 -1.23 0.00 0.00 175.04 173.56 2wnj h TRP 147 N 2.15 0.86 0.00 0.66 2.91 -1.88 -3.42 115.95 117.23 2wnj h TRP 147 Ca -0.49 -0.63 0.00 0.00 1.13 0.00 0.00 58.89 58.90 2wnj h TRP 147 Cb 1.28 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 29.90 2wnj h TRP 147 CO 0.48 1.58 -1.09 1.33 -1.03 0.00 0.00 178.44 179.72 2wnj n VAL 148 N -3.72 0.00 -4.02 2.65 0.24 -1.26 -4.97 118.33 107.24 2wnj n VAL 148 Ca -0.19 -0.25 -0.35 0.00 -2.04 0.00 0.00 64.34 61.51 2wnj n VAL 148 Cb 1.07 0.57 -0.09 0.00 -1.47 0.00 0.00 33.84 33.92 2wnj n VAL 148 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 2wnj s TYR 149 N -2.47 3.28 0.93 6.34 2.02 -1.26 -5.11 117.35 121.07 2wnj s TYR 149 Ca -0.00 0.13 -0.15 0.00 -0.37 0.00 0.00 57.07 56.68 2wnj s TYR 149 Cb 0.08 -2.04 0.19 0.00 -0.40 0.00 0.00 41.96 39.79 2wnj s TYR 149 CO 0.47 0.24 1.29 -1.54 -1.57 0.00 0.00 175.55 174.44 2wnj s SER 150 N 0.13 3.29 0.47 2.29 1.04 -1.26 -4.65 113.70 115.00 2wnj s SER 150 Ca 0.05 0.24 0.32 0.00 0.48 0.00 0.00 55.95 57.04 2wnj s SER 150 Cb -0.12 -0.33 1.62 0.00 0.10 0.00 0.00 66.02 67.29 2wnj s SER 150 CO 0.01 -2.62 1.98 1.23 0.98 0.00 0.00 173.24 174.81 2wnj h GLY 151 N -1.52 0.00 2.00 7.32 0.00 -0.82 0.77 103.07 110.81 2wnj h GLY 151 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.89 2wnj h GLY 151 CO 0.40 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.63 2wnj n PHE 152 N -2.70 0.84 -0.03 5.60 0.99 -1.26 -4.22 117.46 116.69 2wnj n PHE 152 Ca -0.01 0.27 -0.05 0.00 -0.00 0.00 0.00 57.45 57.65 2wnj n PHE 152 Cb 0.13 -0.93 -0.02 0.00 -1.00 0.00 0.00 39.48 37.65 2wnj n PHE 152 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 2wnj n GLU 153 N -2.21 0.14 -4.01 -1.08 4.71 -0.22 -4.00 120.64 113.97 2wnj n GLU 153 Ca 0.05 0.04 -0.30 0.00 -0.01 0.00 0.00 57.16 56.94 2wnj n GLU 153 Cb 0.37 -0.94 -0.16 0.00 -1.01 0.00 0.00 31.44 29.70 2wnj n GLU 153 CO 0.00 0.00 0.00 0.42 0.09 0.00 0.00 177.13 177.64 2wnj s ILE 154 N -2.11 1.59 0.23 -3.67 1.01 0.09 -0.90 121.20 117.44 2wnj s ILE 154 Ca -0.08 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.79 2wnj s ILE 154 Cb 0.03 -1.57 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 2wnj s ILE 154 CO 0.12 0.33 0.40 -0.62 0.00 0.00 0.00 174.94 175.17 2wnj s ASP 155 N 1.45 6.35 0.19 3.58 -1.08 0.10 -3.95 116.67 123.32 2wnj s ASP 155 Ca 0.02 0.33 0.10 0.00 -0.52 0.00 0.00 52.55 52.48 2wnj s ASP 155 Cb -0.14 -1.98 -0.04 0.00 -1.46 0.00 0.00 42.92 39.30 2wnj s ASP 155 CO -0.10 -0.08 -0.21 -0.76 0.52 0.00 0.00 175.17 174.54 2wnj s LEU 156 N -3.60 2.45 0.09 -1.34 1.43 -1.26 -0.89 118.68 115.56 2wnj s LEU 156 Ca 0.37 -0.88 -0.10 0.00 -1.03 0.00 0.00 54.13 52.50 2wnj s LEU 156 Cb -0.10 -1.01 0.00 0.00 0.03 0.00 0.00 46.19 45.11 2wnj s LEU 156 CO 0.30 0.04 0.22 -1.59 0.23 0.00 0.00 176.35 175.55 2wnj s LYS 157 N -2.82 0.87 0.08 1.70 -2.85 -0.59 -4.90 119.74 111.23 2wnj s LYS 157 Ca 0.19 -0.91 0.08 0.00 -1.00 0.00 0.00 55.97 54.34 2wnj s LYS 157 Cb -0.07 0.36 -0.04 0.00 -2.06 0.00 0.00 37.83 36.03 2wnj s LYS 157 CO 0.09 -0.29 -0.19 0.95 0.10 0.00 0.00 175.35 176.02 2wnj s THR 158 N -3.80 2.77 -0.23 3.79 -4.23 -1.26 -0.75 115.64 111.94 2wnj s THR 158 Ca 0.04 -1.35 0.22 0.00 -1.18 0.00 0.00 61.69 59.42 2wnj s THR 158 Cb 0.04 -2.21 0.25 0.00 1.34 0.00 0.00 72.50 71.92 2wnj s THR 158 CO -0.11 0.23 1.63 0.44 -0.54 0.00 0.00 174.62 176.27 2wnj h ASP 159 N 4.17 0.00 -5.08 3.99 3.32 -1.98 -3.47 116.42 117.38 2wnj h ASP 159 Ca -0.49 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 2wnj h ASP 159 Cb 1.16 0.00 -0.16 0.00 0.22 0.00 0.00 39.33 40.56 2wnj h ASP 159 CO 0.46 0.17 -0.24 0.28 -1.72 0.00 0.00 179.24 178.20 2wnj s THR 160 N -3.25 0.09 -2.40 0.35 -1.32 -1.26 -5.03 115.64 102.83 2wnj s THR 160 Ca 0.05 -0.76 0.22 0.00 -1.21 0.00 0.00 61.69 59.99 2wnj s THR 160 Cb 0.07 -1.06 0.43 0.00 -1.51 0.00 0.00 72.50 70.43 2wnj s THR 160 CO 0.67 -0.42 1.48 0.47 -2.21 0.00 0.00 174.62 174.61 2wnj n ASP 161 N 0.30 2.43 -4.62 8.08 8.00 -1.26 -4.79 116.55 124.70 2wnj n ASP 161 Ca -0.17 -1.84 -0.38 0.00 0.71 0.00 0.00 54.79 53.11 2wnj n ASP 161 Cb 0.61 -0.16 -0.09 0.00 -0.02 0.00 0.00 41.12 41.46 2wnj n ASP 161 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2wnj s GLN 162 N -1.69 4.03 0.31 -1.24 1.11 -1.26 -0.07 119.66 120.84 2wnj s GLN 162 Ca 0.35 -0.08 -0.29 0.00 0.01 0.00 0.00 55.36 55.35 2wnj s GLN 162 Cb 0.20 -3.62 -0.11 0.00 -1.01 0.00 0.00 33.01 28.47 2wnj s GLN 162 CO 0.29 -0.17 1.43 0.08 0.01 0.00 0.00 175.29 176.93 2wnj s VAL 163 N 1.74 2.46 -0.32 1.09 1.01 -0.74 -4.83 120.40 120.81 2wnj s VAL 163 Ca 0.12 0.42 -0.29 0.00 0.00 0.00 0.00 61.98 62.24 2wnj s VAL 163 Cb -0.15 -3.27 -0.00 0.00 0.00 0.00 0.00 36.38 32.96 2wnj s VAL 163 CO 0.09 0.09 1.42 -0.62 0.00 0.00 0.00 175.10 176.08 2wnj s ASP 164 N -0.00 6.47 0.00 3.32 2.15 -0.68 -4.87 116.67 123.07 2wnj s ASP 164 Ca 0.55 1.17 0.15 0.00 0.43 0.00 0.00 52.55 54.85 2wnj s ASP 164 Cb -0.43 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.03 2wnj s ASP 164 CO 0.52 -1.25 1.30 0.18 -0.17 0.00 0.00 175.17 175.74 2wnj n LEU 165 N 8.28 3.15 0.26 -1.34 4.77 -1.26 -1.96 117.00 128.89 2wnj n LEU 165 Ca 0.16 -1.83 0.14 0.00 -0.03 0.00 0.00 56.01 54.45 2wnj n LEU 165 Cb 0.47 -0.27 0.67 0.00 -2.33 0.00 0.00 43.42 41.95 2wnj n LEU 165 CO 0.66 0.76 0.94 0.77 -1.33 0.00 0.00 177.39 179.19 2wnj h SER 166 N 2.90 0.00 -0.35 -1.43 4.64 -1.89 -2.01 113.55 115.41 2wnj h SER 166 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2wnj h SER 166 Cb 0.80 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2wnj h SER 166 CO 0.00 0.11 0.00 -1.20 -0.87 0.00 0.00 176.83 174.88 2wnj n SER 167 N -3.35 4.38 -4.74 4.97 7.64 -1.26 -5.01 113.62 116.25 2wnj n SER 167 Ca -0.01 -3.02 -0.41 0.00 1.01 0.00 0.00 58.87 56.44 2wnj n SER 167 Cb 0.31 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.89 2wnj n SER 167 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 2wnj s TYR 168 N -2.83 3.39 -0.21 1.43 5.04 -0.76 -4.57 117.35 118.84 2wnj s TYR 168 Ca 0.46 1.40 -0.28 0.00 -2.44 0.00 0.00 57.07 56.20 2wnj s TYR 168 Cb 0.37 -3.46 -0.04 0.00 0.35 0.00 0.00 41.96 39.17 2wnj s TYR 168 CO 0.11 -1.32 2.02 -0.47 -1.34 0.00 0.00 175.55 174.55 2wnj s TYR 169 N -0.07 1.43 0.44 4.97 5.04 0.65 -4.86 117.35 124.95 2wnj s TYR 169 Ca 0.53 0.43 0.40 0.00 -2.44 0.00 0.00 57.07 55.99 2wnj s TYR 169 Cb -0.33 -4.02 2.06 0.00 0.35 0.00 0.00 41.96 40.01 2wnj s TYR 169 CO 0.37 -3.89 2.21 0.00 -1.34 0.00 0.00 175.55 172.91 2wnj h ALA 170 N 13.51 1.00 -0.28 3.97 0.00 -1.90 -1.63 119.26 133.94 2wnj h ALA 170 Ca -0.40 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.44 2wnj h ALA 170 Cb 1.21 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 2wnj h ALA 170 CO 0.98 0.00 -0.03 0.43 0.00 0.00 0.00 179.25 180.63 2wnj n SER 171 N -3.00 3.19 -4.59 0.00 7.64 -1.26 -5.03 113.62 110.58 2wnj n SER 171 Ca -0.02 -3.33 -0.35 0.00 1.01 0.00 0.00 58.87 56.18 2wnj n SER 171 Cb 0.13 -0.57 0.09 0.00 -1.01 0.00 0.00 64.21 62.84 2wnj n SER 171 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2wnj n SER 172 N -0.84 0.11 0.29 6.43 2.88 -0.61 -4.88 113.62 116.99 2wnj n SER 172 Ca 0.26 0.63 0.16 0.00 -1.33 0.00 0.00 58.87 58.59 2wnj n SER 172 Cb 0.93 -1.37 0.88 0.00 -0.75 0.00 0.00 64.21 63.90 2wnj n SER 172 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2wnj h LYS 173 N -0.42 0.00 -5.44 -1.46 1.79 -1.90 -3.43 116.57 105.70 2wnj h LYS 173 Ca -0.47 0.00 -0.63 0.00 -2.18 0.00 0.00 60.65 57.37 2wnj h LYS 173 Cb 1.33 0.00 -0.32 0.00 -1.58 0.00 0.00 32.23 31.66 2wnj h LYS 173 CO 0.45 0.05 -0.86 0.71 -1.08 0.00 0.00 179.45 178.72 2wnj s TYR 174 N -4.17 2.18 0.09 -1.35 2.02 -1.26 -0.95 117.35 113.91 2wnj s TYR 174 Ca -0.03 -0.75 -0.04 0.00 -0.37 0.00 0.00 57.07 55.89 2wnj s TYR 174 Cb 0.13 -1.46 -0.05 0.00 -0.40 0.00 0.00 41.96 40.18 2wnj s TYR 174 CO 0.53 -0.28 0.31 -1.83 -1.57 0.00 0.00 175.55 172.71 2wnj s GLU 175 N 0.15 3.56 -0.21 -0.62 -1.05 0.21 -4.79 118.70 115.95 2wnj s GLU 175 Ca -0.10 -0.20 -0.14 0.00 -0.15 0.00 0.00 54.97 54.39 2wnj s GLU 175 Cb -0.15 -2.95 -0.04 0.00 -0.44 0.00 0.00 34.13 30.55 2wnj s GLU 175 CO 0.05 0.54 0.30 0.42 0.95 0.00 0.00 175.26 177.53 2wnj s ILE 176 N -1.55 5.27 -0.12 1.83 -1.09 -1.26 -1.69 121.20 122.59 2wnj s ILE 176 Ca 0.37 0.51 -0.16 0.00 -2.23 0.00 0.00 60.65 59.14 2wnj s ILE 176 Cb -0.13 -3.64 -0.26 0.00 -1.58 0.00 0.00 42.46 36.85 2wnj s ILE 176 CO 0.24 0.30 0.52 -0.07 -1.23 0.00 0.00 174.94 174.70 2wnj h LEU 177 N 7.46 0.34 -7.09 2.97 3.38 -0.69 -3.49 115.31 118.18 2wnj h LEU 177 Ca -0.37 -0.83 -0.06 0.00 0.09 0.00 0.00 57.88 56.71 2wnj h LEU 177 Cb 1.16 -0.11 -0.17 0.00 0.09 0.00 0.00 40.66 41.64 2wnj h LEU 177 CO 0.70 1.61 0.12 -0.94 0.09 0.00 0.00 178.44 180.02 2wnj s SER 178 N -6.99 -0.54 -0.14 -0.43 1.04 -1.05 -4.99 113.70 100.60 2wnj s SER 178 Ca -0.21 0.37 -0.04 0.00 0.48 0.00 0.00 55.95 56.55 2wnj s SER 178 Cb 0.04 0.52 0.07 0.00 0.10 0.00 0.00 66.02 66.76 2wnj s SER 178 CO 0.75 -0.71 0.23 0.00 0.98 0.00 0.00 173.24 174.49 2wnj s ALA 179 N -2.09 -0.39 0.15 5.32 0.00 -1.26 -0.54 121.76 122.95 2wnj s ALA 179 Ca -0.07 0.66 0.10 0.00 0.00 0.00 0.00 51.96 52.65 2wnj s ALA 179 Cb -0.01 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 2wnj s ALA 179 CO 0.02 -0.78 -0.24 0.95 0.00 0.00 0.00 175.76 175.70 2wnj s THR 180 N 2.37 2.11 -0.14 0.00 -4.23 -0.46 -1.79 115.64 113.50 2wnj s THR 180 Ca 0.03 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 2wnj s THR 180 Cb -0.13 -1.91 0.04 0.00 1.34 0.00 0.00 72.50 71.84 2wnj s THR 180 CO -0.09 -0.05 -0.02 0.00 -0.54 0.00 0.00 174.62 173.92 2wnj s GLN 181 N -2.29 1.04 -0.06 3.99 -2.07 0.89 -0.84 119.66 120.33 2wnj s GLN 181 Ca 0.14 -0.31 0.00 0.00 -1.82 0.00 0.00 55.36 53.38 2wnj s GLN 181 Cb -0.09 -1.72 0.02 0.00 -1.09 0.00 0.00 33.01 30.13 2wnj s GLN 181 CO 0.07 -0.43 -0.05 0.99 -1.32 0.00 0.00 175.29 174.55 2wnj s THR 182 N 1.78 0.63 0.26 3.63 2.01 -0.70 -4.17 115.64 119.08 2wnj s THR 182 Ca 0.02 -0.13 -0.30 0.00 0.31 0.00 0.00 61.69 61.59 2wnj s THR 182 Cb -0.15 -0.67 -0.10 0.00 0.01 0.00 0.00 72.50 71.59 2wnj s THR 182 CO -0.07 0.27 1.41 -0.60 -0.69 0.00 0.00 174.62 174.94 2wnj s ARG 183 N 1.21 4.28 0.03 4.92 3.52 -1.26 -0.88 118.95 130.78 2wnj s ARG 183 Ca -0.06 2.28 0.04 0.00 -0.13 0.00 0.00 55.73 57.86 2wnj s ARG 183 Cb -0.14 -3.11 -0.02 0.00 -1.56 0.00 0.00 34.95 30.13 2wnj s ARG 183 CO -0.02 -0.38 -0.13 -0.65 -0.81 0.00 0.00 175.30 173.32 2wnj s GLN 184 N -0.59 0.86 -0.21 5.12 -0.21 0.73 -4.93 119.66 120.43 2wnj s GLN 184 Ca 0.57 -0.67 -0.04 0.00 0.02 0.00 0.00 55.36 55.25 2wnj s GLN 184 Cb -0.41 -0.84 -0.01 0.00 1.00 0.00 0.00 33.01 32.74 2wnj s GLN 184 CO 0.45 0.21 -0.04 0.08 -2.12 0.00 0.00 175.29 173.87 2wnj s VAL 185 N -0.77 3.52 -0.07 1.09 1.01 -1.26 -1.53 120.40 122.39 2wnj s VAL 185 Ca 0.01 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2wnj s VAL 185 Cb -0.07 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.69 2wnj s VAL 185 CO 0.01 0.43 -0.16 -1.10 0.00 0.00 0.00 175.10 174.28 2wnj s GLN 186 N 1.27 2.74 -0.41 2.72 -1.52 0.12 -4.98 119.66 119.60 2wnj s GLN 186 Ca 0.03 -0.73 -0.09 0.00 -1.95 0.00 0.00 55.36 52.62 2wnj s GLN 186 Cb -0.14 -2.40 0.07 0.00 -0.22 0.00 0.00 33.01 30.32 2wnj s GLN 186 CO -0.01 0.47 0.24 -1.01 -0.25 0.00 0.00 175.29 174.74 2wnj s HIS 187 N -0.35 3.33 0.24 0.91 3.76 -1.26 -0.79 115.29 121.13 2wnj s HIS 187 Ca 0.03 -1.51 -0.12 0.00 -0.15 0.00 0.00 55.06 53.31 2wnj s HIS 187 Cb -0.12 -2.88 -0.08 0.00 1.11 0.00 0.00 32.58 30.61 2wnj s HIS 187 CO 0.02 -0.83 0.60 0.71 -0.85 0.00 0.00 174.74 174.39 2wnj s TYR 188 N 1.42 3.45 0.21 1.40 2.02 -1.26 -5.00 117.35 119.59 2wnj s TYR 188 Ca 0.03 1.01 -0.10 0.00 -0.37 0.00 0.00 57.07 57.64 2wnj s TYR 188 Cb -0.22 -2.36 0.19 0.00 -0.40 0.00 0.00 41.96 39.17 2wnj s TYR 188 CO 0.02 0.26 1.84 0.66 -1.57 0.00 0.00 175.55 176.76 2wnj h SER 189 N 2.69 0.67 -1.09 2.29 4.64 -1.99 -2.73 113.55 118.03 2wnj h SER 189 Ca -0.47 0.01 0.29 0.00 -0.47 0.00 0.00 61.79 61.15 2wnj h SER 189 Cb 1.18 -0.14 -0.09 0.00 -0.31 0.00 0.00 62.40 63.04 2wnj h SER 189 CO 0.67 0.46 0.71 0.00 -0.87 0.00 0.00 176.83 177.80 2wnj h PRO 192 N 7.17 0.00 -5.80 0.00 0.13 -1.84 -3.40 132.00 128.26 2wnj h PRO 192 Ca -0.42 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.08 2wnj h PRO 192 Cb 1.14 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 2wnj h PRO 192 CO 0.48 0.08 -0.34 -1.21 -0.23 0.00 0.00 178.00 176.79 2wnj s GLU 193 N -4.09 3.73 0.47 0.86 8.01 -1.26 -5.05 118.70 121.38 2wnj s GLU 193 Ca -0.02 0.14 -0.23 0.00 0.01 0.00 0.00 54.97 54.87 2wnj s GLU 193 Cb 0.12 -3.22 -0.07 0.00 -4.31 0.00 0.00 34.13 26.65 2wnj s GLU 193 CO 0.55 0.70 1.20 -1.25 0.01 0.00 0.00 175.26 176.46 2wnj s PRO 194 N -0.94 3.66 0.05 0.39 0.04 -1.26 -4.72 135.00 132.22 2wnj s PRO 194 Ca 0.19 1.85 0.03 0.00 0.04 0.00 0.00 61.00 63.11 2wnj s PRO 194 Cb -0.14 -2.38 -0.04 0.00 0.04 0.00 0.00 34.50 31.98 2wnj s PRO 194 CO 0.08 -0.65 0.01 0.71 0.04 0.00 0.00 177.00 177.19 2wnj s TYR 195 N -1.51 3.05 -0.03 0.56 2.02 0.03 -0.36 117.35 121.10 2wnj s TYR 195 Ca 0.65 0.03 0.03 0.00 -0.37 0.00 0.00 57.07 57.41 2wnj s TYR 195 Cb -0.30 -1.60 -0.03 0.00 -0.40 0.00 0.00 41.96 39.63 2wnj s TYR 195 CO 0.37 0.48 -0.11 0.42 -1.57 0.00 0.00 175.55 175.13 2wnj s ILE 196 N -1.23 3.34 0.14 2.71 -1.09 -1.26 -0.70 121.20 123.11 2wnj s ILE 196 Ca 0.24 -0.72 -0.06 0.00 -2.23 0.00 0.00 60.65 57.88 2wnj s ILE 196 Cb -0.12 -2.37 -0.02 0.00 -1.58 0.00 0.00 42.46 38.37 2wnj s ILE 196 CO 0.15 0.52 0.18 1.51 -1.23 0.00 0.00 174.94 176.07 2wnj s ASP 197 N -1.00 0.17 -0.23 3.58 1.47 -0.58 -4.38 116.67 115.70 2wnj s ASP 197 Ca 0.13 -0.99 -0.03 0.00 1.18 0.00 0.00 52.55 52.84 2wnj s ASP 197 Cb -0.11 0.37 0.00 0.00 -0.34 0.00 0.00 42.92 42.84 2wnj s ASP 197 CO 0.03 -0.81 -0.05 -0.69 0.68 0.00 0.00 175.17 174.33 2wnj s VAL 198 N -3.99 3.23 -0.37 2.11 1.01 0.77 -0.19 120.40 122.97 2wnj s VAL 198 Ca 0.19 -0.63 -0.19 0.00 0.00 0.00 0.00 61.98 61.34 2wnj s VAL 198 Cb 0.05 -2.51 0.00 0.00 0.00 0.00 0.00 36.38 33.93 2wnj s VAL 198 CO -0.00 0.37 0.57 0.21 0.00 0.00 0.00 175.10 176.24 2wnj s ASN 199 N 1.44 6.35 -0.33 3.32 2.47 -0.05 -0.51 114.94 127.62 2wnj s ASN 199 Ca 0.05 -0.06 -0.22 0.00 0.42 0.00 0.00 52.86 53.05 2wnj s ASN 199 Cb -0.15 -2.29 0.00 0.00 -1.45 0.00 0.00 41.25 37.36 2wnj s ASN 199 CO -0.04 -0.57 0.73 -0.22 -3.72 0.00 0.00 177.10 173.28 2wnj s LEU 200 N 2.55 4.13 -0.20 3.21 2.96 -0.08 -1.73 118.68 129.52 2wnj s LEU 200 Ca 0.21 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 54.57 2wnj s LEU 200 Cb -0.15 -2.96 0.01 0.00 0.50 0.00 0.00 46.19 43.60 2wnj s LEU 200 CO 0.15 -0.61 -0.15 -0.69 -1.32 0.00 0.00 176.35 173.73 2wnj s VAL 201 N 2.87 2.45 -0.13 1.68 1.01 -0.02 -0.91 120.40 127.35 2wnj s VAL 201 Ca 0.29 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.44 2wnj s VAL 201 Cb -0.14 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.16 2wnj s VAL 201 CO 0.14 0.47 -0.22 -0.69 0.00 0.00 0.00 175.10 174.79 2wnj s VAL 202 N 1.33 2.09 -0.21 2.92 1.01 -0.42 -1.35 120.40 125.77 2wnj s VAL 202 Ca 0.04 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.98 2wnj s VAL 202 Cb -0.14 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.40 2wnj s VAL 202 CO -0.10 0.55 0.02 -0.75 0.00 0.00 0.00 175.10 174.82 2wnj s LYS 203 N 0.63 3.65 0.07 2.72 2.36 0.30 -1.71 119.74 127.77 2wnj s LYS 203 Ca -0.12 -0.50 -0.09 0.00 -2.55 0.00 0.00 55.97 52.72 2wnj s LYS 203 Cb -0.16 -3.13 -0.00 0.00 -1.05 0.00 0.00 37.83 33.48 2wnj s LYS 203 CO 0.02 -0.00 0.19 -0.59 1.55 0.00 0.00 175.35 176.52 2wnj s PHE 204 N 1.06 0.13 0.11 4.03 -0.12 -0.29 0.11 117.98 123.00 2wnj s PHE 204 Ca 0.03 -0.50 -0.12 0.00 -0.05 0.00 0.00 56.93 56.29 2wnj s PHE 204 Cb -0.14 -0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.21 2wnj s PHE 204 CO 0.02 -0.51 0.28 -0.98 -0.05 0.00 0.00 175.22 173.98 2wnj s ARG 205 N -3.50 0.95 0.16 1.99 1.70 -0.68 -0.21 118.95 119.35 2wnj s ARG 205 Ca 0.02 -0.87 -0.32 0.00 -0.47 0.00 0.00 55.73 54.09 2wnj s ARG 205 Cb 0.03 0.39 -0.12 0.00 -0.57 0.00 0.00 34.95 34.69 2wnj s ARG 205 CO -0.09 -0.33 1.73 0.39 -1.08 0.00 0.00 175.30 175.91 2wnj n GLU 206 N -0.13 2.62 -2.05 3.89 1.02 0.49 -0.62 120.64 125.87 2wnj n GLU 206 Ca -0.15 0.95 -0.42 0.00 -0.02 0.00 0.00 57.16 57.52 2wnj n GLU 206 Cb 0.63 -2.79 -0.03 0.00 -0.02 0.00 0.00 31.44 29.23 2wnj n GLU 206 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2wnj s ARG 207 N 1.64 4.28 0.00 3.49 3.52 -0.13 -4.73 118.95 127.02 2wnj s ARG 207 Ca 0.78 2.24 0.04 0.00 -0.13 0.00 0.00 55.73 58.66 2wnj s ARG 207 Cb -0.54 -3.16 0.03 0.00 -1.56 0.00 0.00 34.95 29.72 2wnj s ARG 207 CO 0.36 -0.44 0.62 2.89 -0.81 0.00 0.00 175.30 177.91